quantum-mechanics

Mentors and Regional Facilitators

Name	Region	Skills	Interests
Christopher Bl…	Campus Champions	anaconda aws azure bash benchmarking c c++ cloud-commercial more...
Balamurugan Desinghu	ACCESS CSSN, Campus Champions, CAREERS, Northeast	ai anaconda api bash batch-jobs benchmarking big-data bioinformatics more...	affinity-group ai allocations-proposal amber anaconda archiving backup bash more...
Daniel Sierra-Sosa	Campus Champions	ai data-analysis deep-learning image-processing machine-learning neural-networks quantum-computing quantum-mechanics	ai data-analysis deep-learning image-processing neural-networks quantum-computing quantum-mechanics
Edwin Posada	Campus Champions	administering-hpc bash batch-jobs benchmarking c c++ cluster-management cluster-support more...
Gaurav Khanna	Campus Champions, CAREERS, Northeast	astrophysics bash batch-jobs c++ cluster-support compiling cuda dependencies more...	astrophysics c c++ cuda distributed-computing fortran git hardware more...
Jacob Fosso Tande	Campus Champions	administering-hpc azure bash c++ cluster-support community-outreach compiling computational-chemistry more...
Jonathan Lyon	At-Large, Campus Champions, Kentucky, ACCESS CSSN	bash computational-chemistry dft fortran gaussian materials-science quantum-mechanics	bash computational-chemistry dft fortran gaussian materials-science modules putty more...
Thomas Langford	Campus Champions, CAREERS	big-data containers monte-carlo mpi parallelization particle-physics python quantum-mechanics more...
Lonnie Crosby	Campus Champions, ACCESS CSSN	bash benchmarking c c++ computational-chemistry containers cuda deep-learning more...
Lisa Perez	SWEETER	computational-chemistry gaussian molecular-dynamics quantum-mechanics training
Justin Oelgoetz	Campus Champions	abstract affiliations astrophysics bash benchmarking c c++ citation more...	administering-hpc ai amber astrophysics benchmarking c c++ charmm more...
Mark Perri	Campus Champions	computational-chemistry docker gamess jetstream namd openstack programming python more...	computational-chemistry docker gamess jupyterhub molecular-dynamics namd python quantum-mechanics
Paul Rulis	Campus Champions	abstract affiliations ai bash batch-jobs c c++ checkpoint more...	abstract affiliations ai amber atlas bash batch-jobs benchmarking more...
Sean Anderson	Campus Champions	administering-hpc anaconda bash batch-jobs benchmarking cluster-support community-outreach compiling more...
Xiaoqin Huang	ACCESS CSSN	access-account ACCESS-credits adding-users affinity-group allocations-extension allocations-proposal amber anaconda more...	ACCESS-credits ACCESS-website adding-users affinity-group allocations-extension allocations-proposal amber anaconda more...
Shaohao Chen	Northeast	ai bash batch-jobs compiling containers cuda debugging deep-learning more...
Soham Pal	ACCESS CSSN, Campus Champions	bash c++ conda file-formats git github github-pages jupyterhub more...
Swabir Silayi	Campus Champions	amber anaconda bash batch-jobs benchmarking c c++ checkpoint more...	administering-hpc cluster-management
Torey Battelle	Campus Champions, CCMNet	administering-hpc batch-jobs computational-chemistry dft environment-modules fortran lmod materials-science more...	administering-hpc anaconda benchmarking cluster-management computational-chemistry cui dft environment-modules more...

Users

Name	Roles	Skills	Interests
Christopher Nadeau	student facilitator	astrophysics python quantum-mechanics scripting unix-environment
Balamurugan Desinghu	mentor researcher/educator rcf	ai anaconda api bash batch-jobs benchmarking big-data bioinformatics more...	affinity-group ai allocations-proposal amber anaconda archiving backup bash more...
Daniel Evans	researcher/educator	c c++ cleanup compiling file-formats git programming project-management more...
Gaurav Khanna	mentor regional facilitator researcher/educator rcf steering committee	astrophysics bash batch-jobs c++ cluster-support compiling cuda dependencies more...	astrophysics c c++ cuda distributed-computing fortran git hardware more...
Jonathan Lyon	mentor researcher/educator	bash computational-chemistry dft fortran gaussian materials-science quantum-mechanics	bash computational-chemistry dft fortran gaussian materials-science modules putty more...
Thomas Langford	mentor rcf	big-data containers monte-carlo mpi parallelization particle-physics python quantum-mechanics more...
Lenore Martin	researcher/educator	administering-hpc amber anaconda backup bash bioinformatics biology charmm more...	administering-hpc ai amber anaconda bioinformatics biology charmm community-outreach more...
Ritesh Bachhar	student facilitator	anaconda astrophysics c fortran git github machine-learning mathematica more...	api astrophysics bash batch-jobs c++ compiling cpu-architecture cuda more...
Som Bishoyi	student facilitator	abstract affiliations astrophysics bash data-analysis data-science deep-learning finite-element-analysis more...	astrophysics data-analysis data-science deep-learning gravitational-waves jupyterhub machine-learning mathematica more...

Projects

Project Title	Project Institution Sort descending	Project Owner	Tags	Status
High Performance Computing vs Quantum Computing for Neural Networks supporting Artificial Intelligence	Pace University	Avery Leider	ai, big-data, deep-learning, github, hpc-cluster-architecture, hpc-operations, jupyterhub, machine-learning, natural-language-processing, proposal-development, python, quantum-mechanics, research-facilitation, research-grants, resources, scikit-learn, singularity, vectorization	Complete
Amsterdam Modeling Suite Software Usage on Penn State’s Roar Computer Clusters	Penn State University - Altoona Campus	Jeffrey J. Nucciarone	batch-jobs, cluster-support, computational-chemistry, file-transfer, hpc-operations, job-sizing, management, pbs, permissions, provisioning, putty, quantum-mechanics, schedulers, scheduling, ssh, terminal-emulation-and-window-management	Complete
Quantum mechanical simulation of fluorine-containing biomolecules	University of Rhode Island	Gaurav Khanna	quantum-mechanics	In Progress

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Knowledge Base Resources

Title	Category	Tags	Skill Level
How the Little Jupyter Notebook Became a Web App: Managing Increasing Complexity with nbdev	Learning	data-sharing, data-management-software, data-reproducibility, github, workflow, astrophysics, data-science, novel-accelerators, computational-chemistry, genomics, materials-science, gravitational-waves, oceanography, particle-physics, physiology, psychology, quantum-computing, quantum-mechanics, biology, science-gateway, software-carpentry, jupyterhub, programming, python	Beginner, Intermediate, Advanced
Research Software Development in JupyterLab: A Platform for Collaboration Between Scientists and RSEs	Learning	ai, visualization, big-data, data-analysis, deep-learning, machine-learning, astrophysics, data-science, novel-accelerators, computational-chemistry, genomics, materials-science, gravitational-waves, oceanography, particle-physics, physiology, psychology, quantum-computing, quantum-mechanics, biology, ondemand, science-gateway, c++, jupyterhub, python, r	Beginner, Intermediate
Science Gateway Tool/Web App Template (Jupyter Notebook + ipywidgets)	Learning	data-analysis, github, astrophysics, data-science, novel-accelerators, computational-chemistry, genomics, materials-science, gravitational-waves, oceanography, particle-physics, physiology, psychology, quantum-computing, quantum-mechanics, biology, ondemand, science-gateway, jupyterhub, python	Beginner

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People with Expertise

Justin McKennon

Electro Magnetic Applications, Inc.

Programs

Northeast

Roles

researcher/educator

Expertise

astrophysics

machine-learning

particle-physics

quantum-mechanics

Edwin Posada

Temple University

Programs

Campus Champions

Roles

research computing facilitator

Expertise

administering-hpc

bash

batch-jobs

benchmarking

c

+61 more tags

Jonathan Lyon

Murray State University

Programs

At-Large, Campus Champions, Kentucky, ACCESS CSSN

Roles

mentor, researcher/educator, cssn

Expertise

bash

computational-chemistry

dft

fortran

gaussian

+2 more tags

People with Interest

Kevin Brandt

South Dakota State University

Programs

Campus Champions, Great Plains, CCMNet

Roles

representative, research computing facilitator, Affinity Group Leader, CCMNet PM, CCMNet

Photo of Kevin Brandt

Interests

checkpoint

cilogon

cloud-commercial

data-management-software

data-wrangling

+7 more tags

Arun Sharma

California State University-Monterey Bay

Programs

Campus Champions

Roles

mentor, research computing facilitator

Interests

bash

data-analysis

data-science

expanse

gaussian

+7 more tags

Mark Perri

Sonoma State University

Programs

Campus Champions

Roles

researcher/educator, research computing facilitator

Interests

computational-chemistry

docker

gamess

jupyterhub

molecular-dynamics

+3 more tags